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Results: 1-8 |
Results: 8
AB-INITIO STUDY OF AZIRIDINES AND DIAZIRIDINES - NITROGEN INVERSION, RING-OPENING, AND THERMOCHEMISTRY
Authors: NIELSEN IMB
Citation: Imb. Nielsen, AB-INITIO STUDY OF AZIRIDINES AND DIAZIRIDINES - NITROGEN INVERSION, RING-OPENING, AND THERMOCHEMISTRY, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(18), 1998, pp. 3193-3201
NEW DIAGNOSTICS FOR COUPLED-CLUSTER AND MOLLER-PLESSET PERTURBATION-THEORY
Authors: JANSSEN CL NIELSEN IMB
Citation: Cl. Janssen et Imb. Nielsen, NEW DIAGNOSTICS FOR COUPLED-CLUSTER AND MOLLER-PLESSET PERTURBATION-THEORY, Chemical physics letters, 290(4-6), 1998, pp. 423-430
ENERGIES, RESONANCE AND UHF INSTABILITIES IN POLYCYCLIC AROMATIC-HYDROCARBONS AND LINEAR POLYENES
Authors: COLVIN ME JANSSEN CL SEIDL ET NIELSEN IMB MELIUS CF
Citation: Me. Colvin et al., ENERGIES, RESONANCE AND UHF INSTABILITIES IN POLYCYCLIC AROMATIC-HYDROCARBONS AND LINEAR POLYENES, Chemical physics letters, 287(5-6), 1998, pp. 537-541
A SYSTEMATIC AB-INITIO STUDY OF THE WATER DIMER IN HIERARCHIES OF BASIS-SETS AND CORRELATION MODELS
Authors: HALKIER A KOCH H JORGENSEN P CHRISTIANSEN O NIELSEN IMB HELGAKER T
Citation: A. Halkier et al., A SYSTEMATIC AB-INITIO STUDY OF THE WATER DIMER IN HIERARCHIES OF BASIS-SETS AND CORRELATION MODELS, Theoretical chemistry accounts, 97(1-4), 1997, pp. 150-157
TOWARD RESOLUTION OF THE SILICON DICARBIDE (SIC2) SAGA - AB-INITIO EXCURSIONS IN THE WEB OF POLYTOPISM
Authors: NIELSEN IMB ALLEN WD CSASZAR AG SCHAEFER HF
Citation: Imb. Nielsen et al., TOWARD RESOLUTION OF THE SILICON DICARBIDE (SIC2) SAGA - AB-INITIO EXCURSIONS IN THE WEB OF POLYTOPISM, The Journal of chemical physics, 107(4), 1997, pp. 1195-1211
DEPROTONATION AND HYDRIDE SHIFTS IN NITRENIUM AND IMINIUM FORMS OF AMINOIMIDAZOLE-AZAARENE MUTAGENS
Authors: COLVIN ME SEIDL ET NIELSEN IMB LEBUI L HATCH FT
Citation: Me. Colvin et al., DEPROTONATION AND HYDRIDE SHIFTS IN NITRENIUM AND IMINIUM FORMS OF AMINOIMIDAZOLE-AZAARENE MUTAGENS, Chemico-biological interactions, 108(1-2), 1997, pp. 39-66
A NEW DIRECT MP2 GRADIENT ALGORITHM WITH IMPLEMENTATION ON A MASSIVELY-PARALLEL COMPUTER
Authors: NIELSEN IMB
Citation: Imb. Nielsen, A NEW DIRECT MP2 GRADIENT ALGORITHM WITH IMPLEMENTATION ON A MASSIVELY-PARALLEL COMPUTER, Chemical physics letters, 255(1-3), 1996, pp. 210-216
PARALLEL DIRECT IMPLEMENTATIONS OF 2ND-ORDER PERTURBATION THEORIES
Authors: NIELSEN IMB SEIDL ET
Citation: Imb. Nielsen et Et. Seidl, PARALLEL DIRECT IMPLEMENTATIONS OF 2ND-ORDER PERTURBATION THEORIES, Journal of computational chemistry, 16(10), 1995, pp. 1301-1313
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